USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 162:sc= 0.77 (180deg=0.201) USER MOD Single : A 4 TYR OH : rot 90:sc= -0.0156 USER MOD Single : A 5 ASN : amide:sc= -3.28! C(o=-3.3!,f=-2.3!) USER MOD Single : A 6 HIS : no HD1:sc= -12.1! C(o=-12!,f=-13!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 4:sc= 1 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 18 GLN : amide:sc= -1.78! X(o=-1.8!,f=-1.6) USER MOD Single : A 21 SER OG : rot 180:sc= 0.051 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= -0.672 (180deg=-0.711) USER MOD Single : A 25 ASN : amide:sc= -4.24! C(o=-4.2!,f=-2.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 31 ASN : amide:sc= -0.258 K(o=-0.26,f=0.26) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 46 MET CE :methyl 138:sc= 0 (180deg=-0.0684) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00863 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -6.63! C(o=-6.6!,f=-22!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.939 13.441 3.218 1.00 0.00 N ATOM 2 CA ARG A 1 2.680 13.137 1.783 1.00 0.00 C ATOM 3 C ARG A 1 1.280 12.533 1.635 1.00 0.00 C ATOM 4 O ARG A 1 0.454 12.641 2.520 1.00 0.00 O ATOM 5 CB ARG A 1 3.719 12.133 1.284 1.00 0.00 C ATOM 6 CG ARG A 1 4.392 12.671 0.020 1.00 0.00 C ATOM 7 CD ARG A 1 4.684 11.513 -0.951 1.00 0.00 C ATOM 8 NE ARG A 1 5.594 11.970 -2.045 1.00 0.00 N ATOM 9 CZ ARG A 1 6.226 13.113 -1.958 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.614 14.222 -2.275 1.00 0.00 N ATOM 11 NH2 ARG A 1 7.465 13.146 -1.552 1.00 0.00 N ATOM 0 H1 ARG A 1 3.961 13.557 3.369 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.448 14.319 3.481 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.589 12.659 3.807 1.00 0.00 H new ATOM 0 HA ARG A 1 2.745 14.054 1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.466 11.954 2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.242 11.176 1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.747 13.407 -0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.319 13.182 0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.141 10.683 -0.411 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.751 11.142 -1.376 1.00 0.00 H new ATOM 0 HE ARG A 1 5.724 11.384 -2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.644 14.197 -2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.106 15.113 -2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.943 12.280 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.956 14.037 -1.485 1.00 0.00 H new ATOM 27 N ILE A 2 1.003 11.891 0.529 1.00 0.00 N ATOM 28 CA ILE A 2 -0.349 11.282 0.349 1.00 0.00 C ATOM 29 C ILE A 2 -0.235 9.921 -0.302 1.00 0.00 C ATOM 30 O ILE A 2 0.359 9.773 -1.350 1.00 0.00 O ATOM 31 CB ILE A 2 -1.207 12.153 -0.555 1.00 0.00 C ATOM 32 CG1 ILE A 2 -1.344 13.521 0.084 1.00 0.00 C ATOM 33 CG2 ILE A 2 -2.586 11.504 -0.714 1.00 0.00 C ATOM 34 CD1 ILE A 2 -0.546 14.543 -0.727 1.00 0.00 C ATOM 0 H ILE A 2 1.648 11.763 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.803 11.194 1.336 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.748 12.254 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.394 13.812 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.981 13.493 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.207 12.123 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.474 10.515 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.060 11.412 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.644 15.527 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.505 14.253 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.930 14.578 -1.747 1.00 0.00 H new ATOM 46 N CYS A 3 -0.829 8.927 0.278 1.00 0.00 N ATOM 47 CA CYS A 3 -0.763 7.595 -0.367 1.00 0.00 C ATOM 48 C CYS A 3 -2.140 6.934 -0.326 1.00 0.00 C ATOM 49 O CYS A 3 -3.037 7.399 0.347 1.00 0.00 O ATOM 50 CB CYS A 3 0.265 6.709 0.342 1.00 0.00 C ATOM 51 SG CYS A 3 1.863 7.557 0.395 1.00 0.00 S ATOM 0 H CYS A 3 -1.349 8.974 1.154 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.455 7.721 -1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.072 6.482 1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.364 5.758 -0.182 1.00 0.00 H new ATOM 56 N TYR A 4 -2.324 5.857 -1.045 1.00 0.00 N ATOM 57 CA TYR A 4 -3.658 5.194 -1.030 1.00 0.00 C ATOM 58 C TYR A 4 -3.772 4.332 0.219 1.00 0.00 C ATOM 59 O TYR A 4 -2.791 3.810 0.712 1.00 0.00 O ATOM 60 CB TYR A 4 -3.841 4.337 -2.277 1.00 0.00 C ATOM 61 CG TYR A 4 -4.123 5.238 -3.453 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.412 5.746 -3.648 1.00 0.00 C ATOM 63 CD2 TYR A 4 -3.099 5.569 -4.346 1.00 0.00 C ATOM 64 CE1 TYR A 4 -5.676 6.585 -4.737 1.00 0.00 C ATOM 65 CE2 TYR A 4 -3.363 6.409 -5.432 1.00 0.00 C ATOM 66 CZ TYR A 4 -4.652 6.916 -5.629 1.00 0.00 C ATOM 67 OH TYR A 4 -4.912 7.742 -6.704 1.00 0.00 O ATOM 0 H TYR A 4 -1.618 5.414 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.438 5.955 -1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.945 3.745 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.663 3.635 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.203 5.491 -2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.104 5.176 -4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.671 6.977 -4.888 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.571 6.667 -6.120 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.764 8.675 -6.443 1.00 0.00 H new ATOM 77 N ASN A 5 -4.957 4.217 0.757 1.00 0.00 N ATOM 78 CA ASN A 5 -5.140 3.425 2.005 1.00 0.00 C ATOM 79 C ASN A 5 -6.026 2.178 1.779 1.00 0.00 C ATOM 80 O ASN A 5 -5.878 1.185 2.462 1.00 0.00 O ATOM 81 CB ASN A 5 -5.783 4.345 3.061 1.00 0.00 C ATOM 82 CG ASN A 5 -6.708 3.551 3.989 1.00 0.00 C ATOM 83 OD1 ASN A 5 -7.786 4.000 4.327 1.00 0.00 O ATOM 84 ND2 ASN A 5 -6.325 2.385 4.414 1.00 0.00 N ATOM 0 H ASN A 5 -5.807 4.639 0.384 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.168 3.064 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.004 4.832 3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.349 5.134 2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.929 1.844 5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.420 2.010 4.129 1.00 0.00 H new ATOM 91 N HIS A 6 -6.975 2.218 0.881 1.00 0.00 N ATOM 92 CA HIS A 6 -7.870 1.022 0.750 1.00 0.00 C ATOM 93 C HIS A 6 -7.146 -0.156 0.092 1.00 0.00 C ATOM 94 O HIS A 6 -6.147 -0.004 -0.583 1.00 0.00 O ATOM 95 CB HIS A 6 -9.187 1.388 0.040 1.00 0.00 C ATOM 96 CG HIS A 6 -9.731 0.220 -0.746 1.00 0.00 C ATOM 97 ND1 HIS A 6 -10.270 -0.895 -0.125 1.00 0.00 N ATOM 98 CD2 HIS A 6 -9.853 -0.008 -2.096 1.00 0.00 C ATOM 99 CE1 HIS A 6 -10.693 -1.733 -1.088 1.00 0.00 C ATOM 100 NE2 HIS A 6 -10.465 -1.240 -2.309 1.00 0.00 N ATOM 0 H HIS A 6 -7.169 2.996 0.251 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.138 0.690 1.753 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.923 1.707 0.778 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.019 2.232 -0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.524 0.666 -2.873 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.160 -2.688 -0.898 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.691 -1.673 -3.204 1.00 0.00 H new ATOM 108 N LEU A 7 -7.629 -1.341 0.363 1.00 0.00 N ATOM 109 CA LEU A 7 -6.974 -2.583 -0.147 1.00 0.00 C ATOM 110 C LEU A 7 -7.455 -2.985 -1.542 1.00 0.00 C ATOM 111 O LEU A 7 -8.450 -2.515 -2.049 1.00 0.00 O ATOM 112 CB LEU A 7 -7.283 -3.729 0.824 1.00 0.00 C ATOM 113 CG LEU A 7 -8.758 -3.686 1.224 1.00 0.00 C ATOM 114 CD1 LEU A 7 -9.361 -5.087 1.109 1.00 0.00 C ATOM 115 CD2 LEU A 7 -8.881 -3.196 2.668 1.00 0.00 C ATOM 0 H LEU A 7 -8.464 -1.503 0.926 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.905 -2.383 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.051 -4.686 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.654 -3.646 1.710 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.293 -3.005 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.412 -5.055 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.275 -5.437 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.826 -5.769 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.933 -3.165 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.345 -3.876 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.453 -2.197 2.751 1.00 0.00 H new ATOM 127 N GLY A 8 -6.731 -3.894 -2.138 1.00 0.00 N ATOM 128 CA GLY A 8 -7.078 -4.421 -3.489 1.00 0.00 C ATOM 129 C GLY A 8 -6.698 -3.416 -4.580 1.00 0.00 C ATOM 130 O GLY A 8 -6.133 -2.375 -4.314 1.00 0.00 O ATOM 0 H GLY A 8 -5.890 -4.304 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.559 -5.364 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.146 -4.632 -3.539 1.00 0.00 H new ATOM 134 N THR A 9 -6.998 -3.736 -5.814 1.00 0.00 N ATOM 135 CA THR A 9 -6.647 -2.818 -6.935 1.00 0.00 C ATOM 136 C THR A 9 -7.801 -1.846 -7.198 1.00 0.00 C ATOM 137 O THR A 9 -7.609 -0.782 -7.753 1.00 0.00 O ATOM 138 CB THR A 9 -6.377 -3.638 -8.198 1.00 0.00 C ATOM 139 OG1 THR A 9 -5.191 -4.401 -8.021 1.00 0.00 O ATOM 140 CG2 THR A 9 -6.209 -2.699 -9.392 1.00 0.00 C ATOM 0 H THR A 9 -7.472 -4.596 -6.092 1.00 0.00 H new ATOM 0 HA THR A 9 -5.756 -2.251 -6.666 1.00 0.00 H new ATOM 0 HB THR A 9 -7.216 -4.309 -8.383 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.018 -4.928 -8.829 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.017 -3.284 -10.291 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.120 -2.115 -9.527 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.371 -2.026 -9.211 1.00 0.00 H new ATOM 148 N LYS A 10 -8.993 -2.195 -6.799 1.00 0.00 N ATOM 149 CA LYS A 10 -10.147 -1.271 -7.026 1.00 0.00 C ATOM 150 C LYS A 10 -9.724 0.126 -6.558 1.00 0.00 C ATOM 151 O LYS A 10 -8.668 0.273 -5.983 1.00 0.00 O ATOM 152 CB LYS A 10 -11.372 -1.748 -6.227 1.00 0.00 C ATOM 153 CG LYS A 10 -11.358 -3.275 -6.102 1.00 0.00 C ATOM 154 CD LYS A 10 -12.790 -3.788 -5.941 1.00 0.00 C ATOM 155 CE LYS A 10 -13.459 -3.075 -4.764 1.00 0.00 C ATOM 156 NZ LYS A 10 -14.831 -3.624 -4.565 1.00 0.00 N ATOM 0 H LYS A 10 -9.220 -3.072 -6.329 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.419 -1.253 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.368 -1.294 -5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.287 -1.424 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.899 -3.718 -6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.755 -3.575 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.356 -3.611 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.785 -4.865 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.867 -3.210 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.509 -2.003 -4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.286 -3.140 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.394 -3.473 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.772 -4.643 -4.364 1.00 0.00 H new ATOM 170 N PRO A 11 -10.549 1.113 -6.814 1.00 0.00 N ATOM 171 CA PRO A 11 -10.251 2.507 -6.424 1.00 0.00 C ATOM 172 C PRO A 11 -10.423 2.676 -4.909 1.00 0.00 C ATOM 173 O PRO A 11 -11.528 2.637 -4.405 1.00 0.00 O ATOM 174 CB PRO A 11 -11.278 3.329 -7.209 1.00 0.00 C ATOM 175 CG PRO A 11 -12.432 2.364 -7.562 1.00 0.00 C ATOM 176 CD PRO A 11 -11.849 0.939 -7.494 1.00 0.00 C ATOM 0 HA PRO A 11 -9.229 2.815 -6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.641 4.167 -6.614 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.832 3.748 -8.111 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.260 2.478 -6.863 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.824 2.576 -8.557 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.503 0.267 -6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.724 0.512 -8.489 1.00 0.00 H new ATOM 184 N PRO A 12 -9.314 2.829 -4.223 1.00 0.00 N ATOM 185 CA PRO A 12 -9.296 2.969 -2.760 1.00 0.00 C ATOM 186 C PRO A 12 -9.483 4.431 -2.349 1.00 0.00 C ATOM 187 O PRO A 12 -9.750 5.286 -3.169 1.00 0.00 O ATOM 188 CB PRO A 12 -7.889 2.489 -2.389 1.00 0.00 C ATOM 189 CG PRO A 12 -7.014 2.664 -3.643 1.00 0.00 C ATOM 190 CD PRO A 12 -7.971 2.871 -4.834 1.00 0.00 C ATOM 0 HA PRO A 12 -10.093 2.413 -2.267 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.490 3.068 -1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.907 1.446 -2.073 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.346 3.518 -3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.386 1.787 -3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.788 3.823 -5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.849 2.090 -5.585 1.00 0.00 H new ATOM 198 N THR A 13 -9.324 4.731 -1.084 1.00 0.00 N ATOM 199 CA THR A 13 -9.471 6.141 -0.637 1.00 0.00 C ATOM 200 C THR A 13 -8.100 6.643 -0.207 1.00 0.00 C ATOM 201 O THR A 13 -7.507 6.129 0.721 1.00 0.00 O ATOM 202 CB THR A 13 -10.443 6.212 0.540 1.00 0.00 C ATOM 203 OG1 THR A 13 -9.846 5.615 1.682 1.00 0.00 O ATOM 204 CG2 THR A 13 -11.732 5.468 0.184 1.00 0.00 C ATOM 0 H THR A 13 -9.100 4.061 -0.348 1.00 0.00 H new ATOM 0 HA THR A 13 -9.862 6.757 -1.447 1.00 0.00 H new ATOM 0 HB THR A 13 -10.677 7.254 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.925 5.354 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.425 5.519 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.188 5.929 -0.692 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.502 4.425 -0.034 1.00 0.00 H new ATOM 212 N THR A 14 -7.572 7.625 -0.880 1.00 0.00 N ATOM 213 CA THR A 14 -6.225 8.117 -0.501 1.00 0.00 C ATOM 214 C THR A 14 -6.187 8.433 0.985 1.00 0.00 C ATOM 215 O THR A 14 -7.186 8.747 1.602 1.00 0.00 O ATOM 216 CB THR A 14 -5.859 9.363 -1.301 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.001 10.196 -1.440 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.350 8.941 -2.676 1.00 0.00 C ATOM 0 H THR A 14 -8.011 8.102 -1.667 1.00 0.00 H new ATOM 0 HA THR A 14 -5.499 7.335 -0.724 1.00 0.00 H new ATOM 0 HB THR A 14 -5.080 9.919 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.762 10.996 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.086 9.827 -3.254 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.470 8.308 -2.560 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.130 8.386 -3.198 1.00 0.00 H new ATOM 226 N GLU A 15 -5.028 8.348 1.555 1.00 0.00 N ATOM 227 CA GLU A 15 -4.873 8.635 3.004 1.00 0.00 C ATOM 228 C GLU A 15 -3.589 9.430 3.195 1.00 0.00 C ATOM 229 O GLU A 15 -2.500 8.930 2.993 1.00 0.00 O ATOM 230 CB GLU A 15 -4.793 7.317 3.772 1.00 0.00 C ATOM 231 CG GLU A 15 -5.275 7.519 5.209 1.00 0.00 C ATOM 232 CD GLU A 15 -6.683 8.117 5.196 1.00 0.00 C ATOM 233 OE1 GLU A 15 -7.628 7.355 5.075 1.00 0.00 O ATOM 234 OE2 GLU A 15 -6.792 9.327 5.308 1.00 0.00 O ATOM 0 H GLU A 15 -4.166 8.088 1.075 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.722 9.208 3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.403 6.561 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.767 6.948 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.278 6.567 5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.593 8.180 5.743 1.00 0.00 H new ATOM 241 N THR A 16 -3.706 10.670 3.556 1.00 0.00 N ATOM 242 CA THR A 16 -2.489 11.502 3.728 1.00 0.00 C ATOM 243 C THR A 16 -1.666 10.989 4.907 1.00 0.00 C ATOM 244 O THR A 16 -2.179 10.728 5.976 1.00 0.00 O ATOM 245 CB THR A 16 -2.901 12.952 3.994 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.310 13.016 4.169 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.492 13.833 2.816 1.00 0.00 C ATOM 0 H THR A 16 -4.590 11.145 3.740 1.00 0.00 H new ATOM 0 HA THR A 16 -1.888 11.447 2.821 1.00 0.00 H new ATOM 0 HB THR A 16 -2.403 13.309 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.576 13.943 4.341 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.788 14.863 3.012 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.411 13.785 2.684 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.984 13.480 1.910 1.00 0.00 H new ATOM 255 N CYS A 17 -0.384 10.859 4.716 1.00 0.00 N ATOM 256 CA CYS A 17 0.499 10.382 5.812 1.00 0.00 C ATOM 257 C CYS A 17 1.765 11.230 5.808 1.00 0.00 C ATOM 258 O CYS A 17 1.955 12.063 4.947 1.00 0.00 O ATOM 259 CB CYS A 17 0.874 8.920 5.574 1.00 0.00 C ATOM 260 SG CYS A 17 -0.596 7.883 5.730 1.00 0.00 S ATOM 0 H CYS A 17 0.093 11.065 3.838 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.016 10.467 6.769 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.310 8.803 4.582 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.630 8.606 6.294 1.00 0.00 H new ATOM 265 N GLN A 18 2.639 11.030 6.750 1.00 0.00 N ATOM 266 CA GLN A 18 3.886 11.838 6.760 1.00 0.00 C ATOM 267 C GLN A 18 4.928 11.163 5.896 1.00 0.00 C ATOM 268 O GLN A 18 5.700 11.803 5.210 1.00 0.00 O ATOM 269 CB GLN A 18 4.453 11.933 8.161 1.00 0.00 C ATOM 270 CG GLN A 18 5.715 12.793 8.100 1.00 0.00 C ATOM 271 CD GLN A 18 5.388 14.121 7.404 1.00 0.00 C ATOM 272 OE1 GLN A 18 5.147 15.118 8.054 1.00 0.00 O ATOM 273 NE2 GLN A 18 5.375 14.172 6.093 1.00 0.00 N ATOM 0 H GLN A 18 2.547 10.351 7.505 1.00 0.00 H new ATOM 0 HA GLN A 18 3.645 12.834 6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.723 12.375 8.839 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.686 10.940 8.546 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.092 12.979 9.106 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.501 12.268 7.557 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.578 13.334 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.162 15.050 5.619 1.00 0.00 H new ATOM 282 N GLU A 19 4.967 9.871 5.936 1.00 0.00 N ATOM 283 CA GLU A 19 5.983 9.159 5.123 1.00 0.00 C ATOM 284 C GLU A 19 5.674 9.402 3.654 1.00 0.00 C ATOM 285 O GLU A 19 4.570 9.187 3.194 1.00 0.00 O ATOM 286 CB GLU A 19 5.961 7.650 5.391 1.00 0.00 C ATOM 287 CG GLU A 19 5.351 7.360 6.765 1.00 0.00 C ATOM 288 CD GLU A 19 5.994 8.272 7.810 1.00 0.00 C ATOM 289 OE1 GLU A 19 7.109 8.713 7.578 1.00 0.00 O ATOM 290 OE2 GLU A 19 5.363 8.515 8.825 1.00 0.00 O ATOM 0 H GLU A 19 4.348 9.278 6.489 1.00 0.00 H new ATOM 0 HA GLU A 19 6.970 9.536 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.384 7.145 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.974 7.251 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.274 7.523 6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.509 6.315 7.032 1.00 0.00 H new ATOM 297 N ASP A 20 6.640 9.849 2.913 1.00 0.00 N ATOM 298 CA ASP A 20 6.392 10.105 1.468 1.00 0.00 C ATOM 299 C ASP A 20 6.356 8.774 0.740 1.00 0.00 C ATOM 300 O ASP A 20 5.949 8.690 -0.401 1.00 0.00 O ATOM 301 CB ASP A 20 7.476 11.000 0.836 1.00 0.00 C ATOM 302 CG ASP A 20 8.596 11.294 1.837 1.00 0.00 C ATOM 303 OD1 ASP A 20 8.370 12.088 2.735 1.00 0.00 O ATOM 304 OD2 ASP A 20 9.662 10.719 1.687 1.00 0.00 O ATOM 0 H ASP A 20 7.586 10.048 3.239 1.00 0.00 H new ATOM 0 HA ASP A 20 5.442 10.631 1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.890 10.509 -0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.029 11.936 0.499 1.00 0.00 H new ATOM 309 N SER A 21 6.762 7.726 1.400 1.00 0.00 N ATOM 310 CA SER A 21 6.747 6.396 0.753 1.00 0.00 C ATOM 311 C SER A 21 5.324 5.840 0.825 1.00 0.00 C ATOM 312 O SER A 21 4.655 5.957 1.830 1.00 0.00 O ATOM 313 CB SER A 21 7.697 5.459 1.501 1.00 0.00 C ATOM 314 OG SER A 21 8.569 6.231 2.316 1.00 0.00 O ATOM 0 H SER A 21 7.103 7.738 2.361 1.00 0.00 H new ATOM 0 HA SER A 21 7.066 6.478 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.129 4.760 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.273 4.864 0.792 1.00 0.00 H new ATOM 0 HG SER A 21 9.179 5.635 2.799 1.00 0.00 H new ATOM 320 N CYS A 22 4.857 5.224 -0.225 1.00 0.00 N ATOM 321 CA CYS A 22 3.493 4.649 -0.204 1.00 0.00 C ATOM 322 C CYS A 22 3.663 3.154 -0.377 1.00 0.00 C ATOM 323 O CYS A 22 4.196 2.699 -1.369 1.00 0.00 O ATOM 324 CB CYS A 22 2.660 5.221 -1.352 1.00 0.00 C ATOM 325 SG CYS A 22 2.766 7.027 -1.333 1.00 0.00 S ATOM 0 H CYS A 22 5.368 5.096 -1.099 1.00 0.00 H new ATOM 0 HA CYS A 22 2.976 4.887 0.726 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.021 4.835 -2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.621 4.906 -1.254 1.00 0.00 H new ATOM 330 N TYR A 23 3.258 2.377 0.575 1.00 0.00 N ATOM 331 CA TYR A 23 3.465 0.922 0.419 1.00 0.00 C ATOM 332 C TYR A 23 2.165 0.218 0.097 1.00 0.00 C ATOM 333 O TYR A 23 1.158 0.356 0.764 1.00 0.00 O ATOM 334 CB TYR A 23 4.122 0.309 1.669 1.00 0.00 C ATOM 335 CG TYR A 23 3.111 -0.030 2.744 1.00 0.00 C ATOM 336 CD1 TYR A 23 2.178 0.916 3.191 1.00 0.00 C ATOM 337 CD2 TYR A 23 3.138 -1.303 3.321 1.00 0.00 C ATOM 338 CE1 TYR A 23 1.277 0.583 4.212 1.00 0.00 C ATOM 339 CE2 TYR A 23 2.234 -1.637 4.336 1.00 0.00 C ATOM 340 CZ TYR A 23 1.305 -0.693 4.782 1.00 0.00 C ATOM 341 OH TYR A 23 0.417 -1.020 5.787 1.00 0.00 O ATOM 0 H TYR A 23 2.802 2.676 1.437 1.00 0.00 H new ATOM 0 HA TYR A 23 4.146 0.778 -0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.664 -0.593 1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.855 1.008 2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.153 1.901 2.749 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.859 -2.032 2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.561 1.313 4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.254 -2.624 4.774 1.00 0.00 H new ATOM 0 HH TYR A 23 0.571 -1.945 6.071 1.00 0.00 H new ATOM 351 N LYS A 24 2.216 -0.549 -0.940 1.00 0.00 N ATOM 352 CA LYS A 24 1.034 -1.339 -1.374 1.00 0.00 C ATOM 353 C LYS A 24 1.513 -2.775 -1.533 1.00 0.00 C ATOM 354 O LYS A 24 2.323 -3.085 -2.385 1.00 0.00 O ATOM 355 CB LYS A 24 0.486 -0.763 -2.678 1.00 0.00 C ATOM 356 CG LYS A 24 -0.305 -1.805 -3.472 1.00 0.00 C ATOM 357 CD LYS A 24 -0.058 -1.575 -4.963 1.00 0.00 C ATOM 358 CE LYS A 24 -1.107 -0.609 -5.516 1.00 0.00 C ATOM 359 NZ LYS A 24 -1.580 -1.094 -6.843 1.00 0.00 N ATOM 0 H LYS A 24 3.044 -0.669 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 24 0.219 -1.301 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.156 0.090 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.311 -0.392 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.004 -2.811 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.369 -1.723 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.942 -1.169 -5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.104 -2.523 -5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.946 -0.532 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.682 0.390 -5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.364 -0.495 -7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.799 -1.049 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.908 -2.077 -6.757 1.00 0.00 H new ATOM 373 N ASN A 25 1.070 -3.639 -0.671 1.00 0.00 N ATOM 374 CA ASN A 25 1.551 -5.044 -0.708 1.00 0.00 C ATOM 375 C ASN A 25 0.403 -6.015 -0.995 1.00 0.00 C ATOM 376 O ASN A 25 -0.759 -5.663 -0.938 1.00 0.00 O ATOM 377 CB ASN A 25 2.208 -5.363 0.648 1.00 0.00 C ATOM 378 CG ASN A 25 1.642 -4.443 1.741 1.00 0.00 C ATOM 379 OD1 ASN A 25 1.017 -4.905 2.675 1.00 0.00 O ATOM 380 ND2 ASN A 25 1.839 -3.152 1.659 1.00 0.00 N ATOM 0 H ASN A 25 0.392 -3.433 0.062 1.00 0.00 H new ATOM 0 HA ASN A 25 2.277 -5.161 -1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.029 -6.405 0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.288 -5.234 0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.468 -2.533 2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.364 -2.765 0.875 1.00 0.00 H new ATOM 387 N ILE A 26 0.735 -7.237 -1.323 1.00 0.00 N ATOM 388 CA ILE A 26 -0.316 -8.249 -1.639 1.00 0.00 C ATOM 389 C ILE A 26 -0.405 -9.287 -0.517 1.00 0.00 C ATOM 390 O ILE A 26 -1.470 -9.780 -0.203 1.00 0.00 O ATOM 391 CB ILE A 26 0.022 -8.951 -2.964 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.178 -9.951 -2.767 1.00 0.00 C ATOM 393 CG2 ILE A 26 0.401 -7.907 -4.020 1.00 0.00 C ATOM 394 CD1 ILE A 26 2.519 -9.220 -2.613 1.00 0.00 C ATOM 0 H ILE A 26 1.694 -7.579 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.277 -7.742 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.855 -9.503 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.989 -10.561 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.226 -10.629 -3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.640 -8.408 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.436 -7.226 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.269 -7.343 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.317 -9.949 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.717 -8.630 -3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.477 -8.561 -1.746 1.00 0.00 H new ATOM 406 N TRP A 27 0.698 -9.621 0.093 1.00 0.00 N ATOM 407 CA TRP A 27 0.656 -10.630 1.199 1.00 0.00 C ATOM 408 C TRP A 27 -0.028 -10.006 2.409 1.00 0.00 C ATOM 409 O TRP A 27 0.390 -8.979 2.907 1.00 0.00 O ATOM 410 CB TRP A 27 2.065 -11.088 1.614 1.00 0.00 C ATOM 411 CG TRP A 27 3.114 -10.226 0.988 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.823 -10.542 -0.122 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.578 -8.912 1.410 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.690 -9.502 -0.406 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.575 -8.479 0.508 1.00 0.00 C ATOM 416 CE3 TRP A 27 3.233 -8.064 2.476 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.208 -7.250 0.655 1.00 0.00 C ATOM 418 CZ3 TRP A 27 3.871 -6.823 2.628 1.00 0.00 C ATOM 419 CH2 TRP A 27 4.856 -6.417 1.717 1.00 0.00 C ATOM 0 H TRP A 27 1.622 -9.245 -0.121 1.00 0.00 H new ATOM 0 HA TRP A 27 0.108 -11.500 0.838 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.159 -11.051 2.699 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.216 -12.126 1.316 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.727 -11.455 -0.691 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.335 -9.494 -1.196 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.474 -8.368 3.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.967 -6.942 -0.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.602 -6.178 3.451 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.342 -5.460 1.837 1.00 0.00 H new ATOM 430 N THR A 28 -1.081 -10.606 2.887 1.00 0.00 N ATOM 431 CA THR A 28 -1.782 -10.026 4.061 1.00 0.00 C ATOM 432 C THR A 28 -2.619 -11.104 4.761 1.00 0.00 C ATOM 433 O THR A 28 -2.179 -12.223 4.937 1.00 0.00 O ATOM 434 CB THR A 28 -2.677 -8.891 3.576 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.222 -8.202 4.692 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.805 -9.468 2.724 1.00 0.00 C ATOM 0 H THR A 28 -1.483 -11.467 2.517 1.00 0.00 H new ATOM 0 HA THR A 28 -1.056 -9.643 4.778 1.00 0.00 H new ATOM 0 HB THR A 28 -2.091 -8.193 2.978 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.795 -7.472 4.378 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.447 -8.660 2.375 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.382 -9.991 1.866 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.392 -10.166 3.321 1.00 0.00 H new ATOM 444 N PHE A 29 -3.816 -10.775 5.174 1.00 0.00 N ATOM 445 CA PHE A 29 -4.665 -11.778 5.874 1.00 0.00 C ATOM 446 C PHE A 29 -4.759 -13.058 5.049 1.00 0.00 C ATOM 447 O PHE A 29 -4.382 -14.122 5.500 1.00 0.00 O ATOM 448 CB PHE A 29 -6.067 -11.204 6.093 1.00 0.00 C ATOM 449 CG PHE A 29 -6.889 -12.162 6.927 1.00 0.00 C ATOM 450 CD1 PHE A 29 -6.282 -12.919 7.939 1.00 0.00 C ATOM 451 CD2 PHE A 29 -8.263 -12.290 6.689 1.00 0.00 C ATOM 452 CE1 PHE A 29 -7.050 -13.803 8.708 1.00 0.00 C ATOM 453 CE2 PHE A 29 -9.029 -13.174 7.458 1.00 0.00 C ATOM 454 CZ PHE A 29 -8.423 -13.929 8.468 1.00 0.00 C ATOM 0 H PHE A 29 -4.240 -9.855 5.056 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.213 -12.011 6.838 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.000 -10.238 6.593 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.554 -11.033 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.223 -12.821 8.126 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.732 -11.706 5.911 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.582 -14.388 9.486 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.088 -13.273 7.272 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.015 -14.609 9.063 1.00 0.00 H new ATOM 464 N ASP A 30 -5.263 -12.976 3.854 1.00 0.00 N ATOM 465 CA ASP A 30 -5.380 -14.203 3.025 1.00 0.00 C ATOM 466 C ASP A 30 -4.869 -13.929 1.612 1.00 0.00 C ATOM 467 O ASP A 30 -3.803 -14.370 1.230 1.00 0.00 O ATOM 468 CB ASP A 30 -6.844 -14.639 2.959 1.00 0.00 C ATOM 469 CG ASP A 30 -7.372 -14.874 4.374 1.00 0.00 C ATOM 470 OD1 ASP A 30 -6.884 -15.785 5.024 1.00 0.00 O ATOM 471 OD2 ASP A 30 -8.255 -14.141 4.787 1.00 0.00 O ATOM 0 H ASP A 30 -5.598 -12.118 3.416 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.782 -14.995 3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.440 -13.875 2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.936 -15.551 2.369 1.00 0.00 H new ATOM 476 N ASN A 31 -5.626 -13.217 0.826 1.00 0.00 N ATOM 477 CA ASN A 31 -5.175 -12.937 -0.570 1.00 0.00 C ATOM 478 C ASN A 31 -5.757 -11.616 -1.085 1.00 0.00 C ATOM 479 O ASN A 31 -6.690 -11.605 -1.862 1.00 0.00 O ATOM 480 CB ASN A 31 -5.628 -14.078 -1.483 1.00 0.00 C ATOM 481 CG ASN A 31 -7.054 -14.490 -1.117 1.00 0.00 C ATOM 482 OD1 ASN A 31 -8.007 -13.897 -1.580 1.00 0.00 O ATOM 483 ND2 ASN A 31 -7.242 -15.491 -0.301 1.00 0.00 N ATOM 0 H ASN A 31 -6.529 -12.819 1.084 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.088 -12.858 -0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.586 -13.762 -2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.955 -14.929 -1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.190 -15.775 -0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.441 -15.989 0.088 1.00 0.00 H new ATOM 490 N ILE A 32 -5.201 -10.505 -0.686 1.00 0.00 N ATOM 491 CA ILE A 32 -5.715 -9.197 -1.188 1.00 0.00 C ATOM 492 C ILE A 32 -4.561 -8.193 -1.239 1.00 0.00 C ATOM 493 O ILE A 32 -3.422 -8.531 -0.982 1.00 0.00 O ATOM 494 CB ILE A 32 -6.825 -8.666 -0.274 1.00 0.00 C ATOM 495 CG1 ILE A 32 -6.419 -8.843 1.193 1.00 0.00 C ATOM 496 CG2 ILE A 32 -8.127 -9.425 -0.548 1.00 0.00 C ATOM 497 CD1 ILE A 32 -6.559 -10.311 1.608 1.00 0.00 C ATOM 0 H ILE A 32 -4.416 -10.445 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.130 -9.337 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.979 -7.606 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.390 -8.514 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.044 -8.217 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.914 -9.045 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.418 -9.284 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.977 -10.487 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.267 -10.423 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.595 -10.627 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.914 -10.929 0.983 1.00 0.00 H new ATOM 509 N ILE A 33 -4.838 -6.964 -1.576 1.00 0.00 N ATOM 510 CA ILE A 33 -3.748 -5.947 -1.651 1.00 0.00 C ATOM 511 C ILE A 33 -4.029 -4.816 -0.666 1.00 0.00 C ATOM 512 O ILE A 33 -5.163 -4.535 -0.357 1.00 0.00 O ATOM 513 CB ILE A 33 -3.690 -5.368 -3.065 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.974 -6.478 -4.072 1.00 0.00 C ATOM 515 CG2 ILE A 33 -2.304 -4.776 -3.325 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.836 -7.500 -4.049 1.00 0.00 C ATOM 0 H ILE A 33 -5.771 -6.619 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.799 -6.422 -1.403 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.437 -4.581 -3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.919 -6.966 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.077 -6.057 -5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.267 -4.365 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.105 -3.984 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.550 -5.557 -3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.043 -8.291 -4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.899 -7.007 -4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.754 -7.931 -3.051 1.00 0.00 H new ATOM 528 N ARG A 34 -3.026 -4.139 -0.189 1.00 0.00 N ATOM 529 CA ARG A 34 -3.309 -3.013 0.743 1.00 0.00 C ATOM 530 C ARG A 34 -2.430 -1.818 0.427 1.00 0.00 C ATOM 531 O ARG A 34 -1.245 -1.807 0.682 1.00 0.00 O ATOM 532 CB ARG A 34 -3.096 -3.411 2.194 1.00 0.00 C ATOM 533 CG ARG A 34 -3.950 -2.486 3.068 1.00 0.00 C ATOM 534 CD ARG A 34 -4.201 -3.143 4.424 1.00 0.00 C ATOM 535 NE ARG A 34 -3.025 -2.920 5.313 1.00 0.00 N ATOM 536 CZ ARG A 34 -3.200 -2.524 6.546 1.00 0.00 C ATOM 537 NH1 ARG A 34 -3.793 -3.307 7.406 1.00 0.00 N ATOM 538 NH2 ARG A 34 -2.784 -1.344 6.918 1.00 0.00 N ATOM 0 H ARG A 34 -2.042 -4.309 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.357 -2.748 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.380 -4.452 2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.043 -3.324 2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.444 -1.530 3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.899 -2.277 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.099 -2.727 4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.375 -4.211 4.295 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.082 -3.077 4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.120 -4.229 7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.929 -2.997 8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.322 -0.731 6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.921 -1.035 7.880 1.00 0.00 H new ATOM 552 N ARG A 35 -3.031 -0.803 -0.101 1.00 0.00 N ATOM 553 CA ARG A 35 -2.293 0.437 -0.432 1.00 0.00 C ATOM 554 C ARG A 35 -2.219 1.300 0.824 1.00 0.00 C ATOM 555 O ARG A 35 -3.225 1.659 1.389 1.00 0.00 O ATOM 556 CB ARG A 35 -3.058 1.184 -1.520 1.00 0.00 C ATOM 557 CG ARG A 35 -3.222 0.276 -2.740 1.00 0.00 C ATOM 558 CD ARG A 35 -4.675 0.305 -3.208 1.00 0.00 C ATOM 559 NE ARG A 35 -4.722 0.736 -4.632 1.00 0.00 N ATOM 560 CZ ARG A 35 -4.700 -0.152 -5.584 1.00 0.00 C ATOM 561 NH1 ARG A 35 -4.035 -1.264 -5.424 1.00 0.00 N ATOM 562 NH2 ARG A 35 -5.347 0.071 -6.694 1.00 0.00 N ATOM 0 H ARG A 35 -4.026 -0.778 -0.323 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.288 0.207 -0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.035 1.491 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.523 2.092 -1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.564 0.607 -3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.930 -0.744 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.124 -0.682 -3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.255 0.989 -2.589 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.772 1.728 -4.862 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.533 -1.437 -4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.018 -1.960 -6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.868 0.939 -6.815 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.332 -0.623 -7.442 1.00 0.00 H new ATOM 576 N GLY A 36 -1.038 1.611 1.279 1.00 0.00 N ATOM 577 CA GLY A 36 -0.908 2.440 2.513 1.00 0.00 C ATOM 578 C GLY A 36 0.200 3.487 2.337 1.00 0.00 C ATOM 579 O GLY A 36 0.579 3.833 1.237 1.00 0.00 O ATOM 0 H GLY A 36 -0.156 1.328 0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.855 2.935 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.682 1.801 3.366 1.00 0.00 H new ATOM 583 N CYS A 37 0.714 3.993 3.424 1.00 0.00 N ATOM 584 CA CYS A 37 1.790 5.022 3.353 1.00 0.00 C ATOM 585 C CYS A 37 2.959 4.554 4.215 1.00 0.00 C ATOM 586 O CYS A 37 2.789 4.228 5.374 1.00 0.00 O ATOM 587 CB CYS A 37 1.259 6.355 3.889 1.00 0.00 C ATOM 588 SG CYS A 37 0.058 6.045 5.212 1.00 0.00 S ATOM 0 H CYS A 37 0.431 3.734 4.369 1.00 0.00 H new ATOM 0 HA CYS A 37 2.114 5.158 2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.083 6.960 4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.790 6.921 3.084 1.00 0.00 H new ATOM 593 N GLY A 38 4.138 4.482 3.667 1.00 0.00 N ATOM 594 CA GLY A 38 5.281 3.996 4.472 1.00 0.00 C ATOM 595 C GLY A 38 5.408 2.507 4.194 1.00 0.00 C ATOM 596 O GLY A 38 4.431 1.833 3.951 1.00 0.00 O ATOM 0 H GLY A 38 4.355 4.737 2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.197 4.520 4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.113 4.179 5.533 1.00 0.00 H new ATOM 600 N CYS A 39 6.590 1.987 4.186 1.00 0.00 N ATOM 601 CA CYS A 39 6.732 0.545 3.871 1.00 0.00 C ATOM 602 C CYS A 39 6.078 -0.328 4.931 1.00 0.00 C ATOM 603 O CYS A 39 5.878 0.053 6.068 1.00 0.00 O ATOM 604 CB CYS A 39 8.199 0.168 3.733 1.00 0.00 C ATOM 605 SG CYS A 39 8.813 0.771 2.150 1.00 0.00 S ATOM 0 H CYS A 39 7.458 2.487 4.381 1.00 0.00 H new ATOM 0 HA CYS A 39 6.224 0.371 2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.777 0.599 4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.317 -0.914 3.795 1.00 0.00 H new ATOM 610 N PHE A 40 5.750 -1.510 4.521 1.00 0.00 N ATOM 611 CA PHE A 40 5.098 -2.504 5.418 1.00 0.00 C ATOM 612 C PHE A 40 6.079 -2.891 6.530 1.00 0.00 C ATOM 613 O PHE A 40 7.231 -2.505 6.514 1.00 0.00 O ATOM 614 CB PHE A 40 4.692 -3.757 4.604 1.00 0.00 C ATOM 615 CG PHE A 40 5.834 -4.200 3.712 1.00 0.00 C ATOM 616 CD1 PHE A 40 6.220 -3.432 2.605 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.537 -5.365 4.019 1.00 0.00 C ATOM 618 CE1 PHE A 40 7.302 -3.817 1.823 1.00 0.00 C ATOM 619 CE2 PHE A 40 7.612 -5.762 3.221 1.00 0.00 C ATOM 620 CZ PHE A 40 7.998 -4.987 2.125 1.00 0.00 C ATOM 0 H PHE A 40 5.910 -1.845 3.571 1.00 0.00 H new ATOM 0 HA PHE A 40 4.201 -2.070 5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.417 -4.565 5.282 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.813 -3.536 3.998 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.672 -2.534 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.250 -5.960 4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.604 -3.211 0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.147 -6.671 3.452 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.833 -5.293 1.513 1.00 0.00 H new ATOM 630 N THR A 41 5.620 -3.613 7.516 1.00 0.00 N ATOM 631 CA THR A 41 6.515 -3.980 8.656 1.00 0.00 C ATOM 632 C THR A 41 7.566 -5.031 8.265 1.00 0.00 C ATOM 633 O THR A 41 8.724 -4.884 8.601 1.00 0.00 O ATOM 634 CB THR A 41 5.673 -4.525 9.808 1.00 0.00 C ATOM 635 OG1 THR A 41 4.379 -3.938 9.771 1.00 0.00 O ATOM 636 CG2 THR A 41 6.355 -4.182 11.132 1.00 0.00 C ATOM 0 H THR A 41 4.665 -3.965 7.583 1.00 0.00 H new ATOM 0 HA THR A 41 7.045 -3.076 8.955 1.00 0.00 H new ATOM 0 HB THR A 41 5.578 -5.607 9.714 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.839 -4.290 10.509 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.759 -4.568 11.959 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.347 -4.633 11.158 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.446 -3.100 11.225 1.00 0.00 H new ATOM 644 N PRO A 42 7.141 -6.068 7.600 1.00 0.00 N ATOM 645 CA PRO A 42 8.037 -7.165 7.196 1.00 0.00 C ATOM 646 C PRO A 42 8.875 -6.784 5.970 1.00 0.00 C ATOM 647 O PRO A 42 9.040 -7.565 5.056 1.00 0.00 O ATOM 648 CB PRO A 42 7.075 -8.315 6.888 1.00 0.00 C ATOM 649 CG PRO A 42 5.699 -7.669 6.596 1.00 0.00 C ATOM 650 CD PRO A 42 5.742 -6.246 7.187 1.00 0.00 C ATOM 0 HA PRO A 42 8.767 -7.421 7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.422 -8.893 6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.010 -9.003 7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.507 -7.637 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.895 -8.251 7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.447 -5.500 6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.061 -6.145 8.033 1.00 0.00 H new ATOM 658 N ARG A 43 9.421 -5.598 5.959 1.00 0.00 N ATOM 659 CA ARG A 43 10.262 -5.165 4.804 1.00 0.00 C ATOM 660 C ARG A 43 11.326 -6.220 4.529 1.00 0.00 C ATOM 661 O ARG A 43 11.773 -6.919 5.417 1.00 0.00 O ATOM 662 CB ARG A 43 10.945 -3.832 5.140 1.00 0.00 C ATOM 663 CG ARG A 43 12.192 -3.632 4.266 1.00 0.00 C ATOM 664 CD ARG A 43 12.707 -2.201 4.431 1.00 0.00 C ATOM 665 NE ARG A 43 14.199 -2.204 4.434 1.00 0.00 N ATOM 666 CZ ARG A 43 14.849 -2.909 5.320 1.00 0.00 C ATOM 667 NH1 ARG A 43 15.135 -4.159 5.079 1.00 0.00 N ATOM 668 NH2 ARG A 43 15.220 -2.361 6.445 1.00 0.00 N ATOM 0 H ARG A 43 9.321 -4.907 6.703 1.00 0.00 H new ATOM 0 HA ARG A 43 9.633 -5.041 3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.248 -3.009 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.225 -3.815 6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.967 -4.344 4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.951 -3.825 3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.336 -1.574 3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.332 -1.774 5.361 1.00 0.00 H new ATOM 0 HE ARG A 43 14.711 -1.655 3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.851 -4.586 4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.643 -4.709 5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.002 -1.382 6.632 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.728 -2.912 7.137 1.00 0.00 H new ATOM 682 N GLY A 44 11.739 -6.337 3.300 1.00 0.00 N ATOM 683 CA GLY A 44 12.773 -7.337 2.964 1.00 0.00 C ATOM 684 C GLY A 44 12.790 -7.570 1.452 1.00 0.00 C ATOM 685 O GLY A 44 12.075 -6.930 0.706 1.00 0.00 O ATOM 0 H GLY A 44 11.401 -5.780 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.751 -6.991 3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.570 -8.273 3.484 1.00 0.00 H new ATOM 689 N ASP A 45 13.602 -8.483 0.994 1.00 0.00 N ATOM 690 CA ASP A 45 13.670 -8.758 -0.469 1.00 0.00 C ATOM 691 C ASP A 45 12.610 -9.799 -0.847 1.00 0.00 C ATOM 692 O ASP A 45 12.042 -9.755 -1.920 1.00 0.00 O ATOM 693 CB ASP A 45 15.057 -9.299 -0.818 1.00 0.00 C ATOM 694 CG ASP A 45 15.053 -9.824 -2.254 1.00 0.00 C ATOM 695 OD1 ASP A 45 14.874 -9.022 -3.155 1.00 0.00 O ATOM 696 OD2 ASP A 45 15.228 -11.018 -2.427 1.00 0.00 O ATOM 0 H ASP A 45 14.222 -9.051 1.571 1.00 0.00 H new ATOM 0 HA ASP A 45 13.485 -7.836 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.804 -8.513 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.332 -10.097 -0.128 1.00 0.00 H new ATOM 701 N MET A 46 12.346 -10.735 0.023 1.00 0.00 N ATOM 702 CA MET A 46 11.331 -11.780 -0.290 1.00 0.00 C ATOM 703 C MET A 46 10.076 -11.137 -0.895 1.00 0.00 C ATOM 704 O MET A 46 9.602 -11.566 -1.929 1.00 0.00 O ATOM 705 CB MET A 46 10.954 -12.527 0.991 1.00 0.00 C ATOM 706 CG MET A 46 11.181 -14.028 0.793 1.00 0.00 C ATOM 707 SD MET A 46 9.920 -14.686 -0.327 1.00 0.00 S ATOM 708 CE MET A 46 8.620 -14.933 0.907 1.00 0.00 C ATOM 0 H MET A 46 12.790 -10.821 0.937 1.00 0.00 H new ATOM 0 HA MET A 46 11.754 -12.479 -1.012 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.554 -12.165 1.826 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.911 -12.336 1.242 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.175 -14.205 0.383 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.135 -14.543 1.752 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.663 -14.612 0.496 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.565 -15.989 1.171 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.848 -14.347 1.798 1.00 0.00 H new ATOM 718 N PRO A 47 9.571 -10.135 -0.225 1.00 0.00 N ATOM 719 CA PRO A 47 8.363 -9.418 -0.658 1.00 0.00 C ATOM 720 C PRO A 47 8.678 -8.420 -1.772 1.00 0.00 C ATOM 721 O PRO A 47 9.750 -7.853 -1.842 1.00 0.00 O ATOM 722 CB PRO A 47 7.895 -8.706 0.617 1.00 0.00 C ATOM 723 CG PRO A 47 9.126 -8.606 1.546 1.00 0.00 C ATOM 724 CD PRO A 47 10.157 -9.624 1.026 1.00 0.00 C ATOM 0 HA PRO A 47 7.604 -10.079 -1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.503 -7.716 0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.091 -9.263 1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.539 -7.597 1.534 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.851 -8.826 2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.124 -9.154 0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.320 -10.427 1.745 1.00 0.00 H new ATOM 732 N GLY A 48 7.728 -8.200 -2.638 1.00 0.00 N ATOM 733 CA GLY A 48 7.923 -7.241 -3.755 1.00 0.00 C ATOM 734 C GLY A 48 6.664 -6.376 -3.881 1.00 0.00 C ATOM 735 O GLY A 48 5.981 -6.413 -4.886 1.00 0.00 O ATOM 0 H GLY A 48 6.814 -8.651 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.795 -6.615 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.109 -7.777 -4.686 1.00 0.00 H new ATOM 739 N PRO A 49 6.390 -5.636 -2.835 1.00 0.00 N ATOM 740 CA PRO A 49 5.210 -4.754 -2.760 1.00 0.00 C ATOM 741 C PRO A 49 5.442 -3.464 -3.551 1.00 0.00 C ATOM 742 O PRO A 49 6.248 -3.420 -4.460 1.00 0.00 O ATOM 743 CB PRO A 49 5.080 -4.474 -1.260 1.00 0.00 C ATOM 744 CG PRO A 49 6.471 -4.712 -0.651 1.00 0.00 C ATOM 745 CD PRO A 49 7.238 -5.612 -1.628 1.00 0.00 C ATOM 0 HA PRO A 49 4.311 -5.198 -3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.749 -3.451 -1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.339 -5.132 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.995 -3.767 -0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.388 -5.186 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.229 -5.212 -1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.380 -6.613 -1.221 1.00 0.00 H new ATOM 753 N TYR A 50 4.731 -2.415 -3.228 1.00 0.00 N ATOM 754 CA TYR A 50 4.910 -1.144 -3.984 1.00 0.00 C ATOM 755 C TYR A 50 5.293 0.004 -3.042 1.00 0.00 C ATOM 756 O TYR A 50 4.525 0.918 -2.818 1.00 0.00 O ATOM 757 CB TYR A 50 3.609 -0.794 -4.709 1.00 0.00 C ATOM 758 CG TYR A 50 3.929 -0.330 -6.109 1.00 0.00 C ATOM 759 CD1 TYR A 50 5.016 0.526 -6.327 1.00 0.00 C ATOM 760 CD2 TYR A 50 3.146 -0.757 -7.188 1.00 0.00 C ATOM 761 CE1 TYR A 50 5.319 0.956 -7.624 1.00 0.00 C ATOM 762 CE2 TYR A 50 3.450 -0.327 -8.486 1.00 0.00 C ATOM 763 CZ TYR A 50 4.537 0.530 -8.704 1.00 0.00 C ATOM 764 OH TYR A 50 4.840 0.952 -9.982 1.00 0.00 O ATOM 0 H TYR A 50 4.040 -2.385 -2.479 1.00 0.00 H new ATOM 0 HA TYR A 50 5.714 -1.282 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 50 2.952 -1.663 -4.743 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.076 -0.013 -4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.620 0.854 -5.494 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.308 -1.417 -7.020 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.157 1.617 -7.792 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.846 -0.656 -9.319 1.00 0.00 H new ATOM 0 HH TYR A 50 4.200 0.564 -10.615 1.00 0.00 H new ATOM 774 N CYS A 51 6.489 -0.021 -2.519 1.00 0.00 N ATOM 775 CA CYS A 51 6.951 1.085 -1.627 1.00 0.00 C ATOM 776 C CYS A 51 7.485 2.211 -2.514 1.00 0.00 C ATOM 777 O CYS A 51 8.483 2.050 -3.188 1.00 0.00 O ATOM 778 CB CYS A 51 8.105 0.591 -0.762 1.00 0.00 C ATOM 779 SG CYS A 51 7.480 0.031 0.828 1.00 0.00 S ATOM 0 H CYS A 51 7.171 -0.764 -2.671 1.00 0.00 H new ATOM 0 HA CYS A 51 6.128 1.424 -0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.626 -0.224 -1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.830 1.391 -0.616 1.00 0.00 H new ATOM 784 N CYS A 52 6.851 3.344 -2.531 1.00 0.00 N ATOM 785 CA CYS A 52 7.367 4.452 -3.395 1.00 0.00 C ATOM 786 C CYS A 52 7.208 5.786 -2.688 1.00 0.00 C ATOM 787 O CYS A 52 6.218 6.038 -2.035 1.00 0.00 O ATOM 788 CB CYS A 52 6.613 4.535 -4.729 1.00 0.00 C ATOM 789 SG CYS A 52 5.214 3.386 -4.769 1.00 0.00 S ATOM 0 H CYS A 52 6.009 3.557 -1.995 1.00 0.00 H new ATOM 0 HA CYS A 52 8.418 4.237 -3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.255 5.553 -4.883 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.295 4.309 -5.549 1.00 0.00 H new ATOM 794 N GLU A 53 8.163 6.658 -2.843 1.00 0.00 N ATOM 795 CA GLU A 53 8.064 7.993 -2.199 1.00 0.00 C ATOM 796 C GLU A 53 7.227 8.932 -3.074 1.00 0.00 C ATOM 797 O GLU A 53 7.384 10.137 -3.037 1.00 0.00 O ATOM 798 CB GLU A 53 9.463 8.568 -1.991 1.00 0.00 C ATOM 799 CG GLU A 53 10.454 7.424 -1.768 1.00 0.00 C ATOM 800 CD GLU A 53 11.789 7.987 -1.280 1.00 0.00 C ATOM 801 OE1 GLU A 53 12.180 9.035 -1.765 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.399 7.357 -0.431 1.00 0.00 O ATOM 0 H GLU A 53 9.010 6.502 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 53 7.576 7.892 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.759 9.156 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.468 9.241 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.055 6.722 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.599 6.870 -2.695 1.00 0.00 H new ATOM 809 N SER A 54 6.322 8.389 -3.846 1.00 0.00 N ATOM 810 CA SER A 54 5.457 9.238 -4.706 1.00 0.00 C ATOM 811 C SER A 54 4.038 9.205 -4.137 1.00 0.00 C ATOM 812 O SER A 54 3.557 8.177 -3.693 1.00 0.00 O ATOM 813 CB SER A 54 5.455 8.689 -6.133 1.00 0.00 C ATOM 814 OG SER A 54 6.452 7.683 -6.251 1.00 0.00 O ATOM 0 H SER A 54 6.147 7.387 -3.915 1.00 0.00 H new ATOM 0 HA SER A 54 5.830 10.262 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.475 8.276 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.647 9.492 -6.844 1.00 0.00 H new ATOM 0 HG SER A 54 6.452 7.328 -7.164 1.00 0.00 H new ATOM 820 N ASP A 55 3.361 10.316 -4.127 1.00 0.00 N ATOM 821 CA ASP A 55 1.990 10.323 -3.559 1.00 0.00 C ATOM 822 C ASP A 55 1.056 9.522 -4.460 1.00 0.00 C ATOM 823 O ASP A 55 1.228 9.461 -5.661 1.00 0.00 O ATOM 824 CB ASP A 55 1.472 11.758 -3.446 1.00 0.00 C ATOM 825 CG ASP A 55 2.595 12.682 -2.977 1.00 0.00 C ATOM 826 OD1 ASP A 55 3.652 12.661 -3.586 1.00 0.00 O ATOM 827 OD2 ASP A 55 2.375 13.399 -2.016 1.00 0.00 O ATOM 0 H ASP A 55 3.694 11.211 -4.484 1.00 0.00 H new ATOM 0 HA ASP A 55 2.020 9.873 -2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.092 12.094 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.639 11.799 -2.744 1.00 0.00 H new ATOM 832 N LYS A 56 0.065 8.908 -3.882 1.00 0.00 N ATOM 833 CA LYS A 56 -0.895 8.107 -4.688 1.00 0.00 C ATOM 834 C LYS A 56 -0.136 7.097 -5.553 1.00 0.00 C ATOM 835 O LYS A 56 -0.562 6.756 -6.639 1.00 0.00 O ATOM 836 CB LYS A 56 -1.702 9.051 -5.581 1.00 0.00 C ATOM 837 CG LYS A 56 -2.216 10.216 -4.738 1.00 0.00 C ATOM 838 CD LYS A 56 -3.100 11.122 -5.597 1.00 0.00 C ATOM 839 CE LYS A 56 -3.178 12.509 -4.957 1.00 0.00 C ATOM 840 NZ LYS A 56 -3.514 13.519 -5.999 1.00 0.00 N ATOM 0 H LYS A 56 -0.123 8.926 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.567 7.564 -4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.080 9.422 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.537 8.518 -6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.783 9.839 -3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.377 10.785 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.692 11.197 -6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.099 10.694 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.933 12.517 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.227 12.758 -4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.567 14.462 -5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.778 13.518 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.432 13.283 -6.428 1.00 0.00 H new ATOM 854 N CYS A 57 0.987 6.614 -5.093 1.00 0.00 N ATOM 855 CA CYS A 57 1.748 5.631 -5.911 1.00 0.00 C ATOM 856 C CYS A 57 1.101 4.246 -5.812 1.00 0.00 C ATOM 857 O CYS A 57 1.263 3.421 -6.688 1.00 0.00 O ATOM 858 CB CYS A 57 3.191 5.544 -5.410 1.00 0.00 C ATOM 859 SG CYS A 57 4.025 4.148 -6.212 1.00 0.00 S ATOM 0 H CYS A 57 1.406 6.856 -4.195 1.00 0.00 H new ATOM 0 HA CYS A 57 1.738 5.962 -6.949 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.720 6.472 -5.628 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.205 5.417 -4.328 1.00 0.00 H new ATOM 864 N ASN A 58 0.386 3.966 -4.755 1.00 0.00 N ATOM 865 CA ASN A 58 -0.226 2.623 -4.637 1.00 0.00 C ATOM 866 C ASN A 58 -1.637 2.624 -5.232 1.00 0.00 C ATOM 867 O ASN A 58 -2.618 2.458 -4.536 1.00 0.00 O ATOM 868 CB ASN A 58 -0.274 2.185 -3.169 1.00 0.00 C ATOM 869 CG ASN A 58 -0.506 3.375 -2.239 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.912 4.433 -2.671 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.256 3.240 -0.962 1.00 0.00 N ATOM 0 H ASN A 58 0.204 4.604 -3.980 1.00 0.00 H new ATOM 0 HA ASN A 58 0.388 1.915 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.070 1.454 -3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.661 1.691 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.403 4.025 -0.328 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.085 2.349 -0.601 1.00 0.00 H new ATOM 878 N LEU A 59 -1.740 2.797 -6.523 1.00 0.00 N ATOM 879 CA LEU A 59 -3.078 2.794 -7.177 1.00 0.00 C ATOM 880 C LEU A 59 -3.061 1.811 -8.349 1.00 0.00 C ATOM 881 O LEU A 59 -3.988 1.024 -8.452 1.00 0.00 O ATOM 882 CB LEU A 59 -3.393 4.195 -7.702 1.00 0.00 C ATOM 883 CG LEU A 59 -4.903 4.455 -7.641 1.00 0.00 C ATOM 884 CD1 LEU A 59 -5.618 3.576 -8.668 1.00 0.00 C ATOM 885 CD2 LEU A 59 -5.436 4.127 -6.244 1.00 0.00 C ATOM 886 OXT LEU A 59 -2.124 1.864 -9.128 1.00 0.00 O ATOM 0 H LEU A 59 -0.951 2.941 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.837 2.496 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.864 4.941 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.040 4.295 -8.729 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.088 5.506 -7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.691 3.763 -8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.251 3.811 -9.667 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.423 2.527 -8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.509 4.315 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.244 3.078 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.935 4.754 -5.507 1.00 0.00 H new